3,5-dimethyl-1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperazine

C12H21N5 — CID 102797289

IUPAC3,5-dimethyl-1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCC1CN(c2n[nH]c(C3CC3C)n2)CC(C)N1
InChIInChI=1S/C12H21N5/c1-7-4-10(7)11-14-12(16-15-11)17-5-8(2)13-9(3)6-17/h7-10,13H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyLCSBPHAEYLSPRM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.11
Rot. Bonds2

About 3,5-dimethyl-1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperazine

3,5-dimethyl-1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperazine (PubChem CID 102797289) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3,5-dimethyl-1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperazine
PubChem CID102797289
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name3,5-dimethyl-1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCC1CN(c2n[nH]c(C3CC3C)n2)CC(C)N1
InChIInChI=1S/C12H21N5/c1-7-4-10(7)11-14-12(16-15-11)17-5-8(2)13-9(3)6-17/h7-10,13H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyLCSBPHAEYLSPRM-UHFFFAOYSA-N
XLogP1.11
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of 3,5-dimethyl-1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperazine (CID 102797289) is 3,5-dimethyl-1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for 3,5-dimethyl-1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for 3,5-dimethyl-1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperazine is CC1CN(c2n[nH]c(C3CC3C)n2)CC(C)N1.
What is the InChIKey of 3,5-dimethyl-1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperazine?
The InChIKey is LCSBPHAEYLSPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-7-4-10(7)11-14-12(16-15-11)17-5-8(2)13-9(3)6-17/h7-10,13H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 3,5-dimethyl-1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperazine?
3,5-dimethyl-1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperazine has a molecular weight of 235.33 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 102797289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).